Geometry & MOs

Info

ID:	234651
PubChem CID:	92303240
Reduced:	N2S3O4C13H22 (1)
Stoich.:	A2B3C4D13E22 (1)
Weight, g/mol:	207.125929
ΔH_f, kcal/mol:	-163.94
Dipole, Da:	7.58
IP(EA), eV:	-8.92(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[(2R)-butan-2-yl]-3-(5-methylfuran-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC[C@@H](C)N([C@H]1CCS(=O)(=O)C1)C(=S)NC2=CCS(=O)(=O)C2

DOS

IR

Vibrations